SCHEMBL20130905

SCHEMBL20130905

CCC(Oc1ccnc2cc(C(N)=O)c(OC(C)C)cc12)C1C(C)C1C

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24250111 0.82 IRAK4 (0.66) IRAK4
SCHEMBL20130876 0.81 IRAK4 (0.73) IRAK4
SCHEMBL17148584 0.79 IRAK4 (1.00) IRAK4
SCHEMBL25909063 0.77 IRAK4 (0.66) IRAK4
SCHEMBL18271551 0.77 IRAK4 (0.66) IRAK4
SCHEMBL17148583 0.76 IRAK4 (1.00) IRAK4
SCHEMBL21325853 0.76 IRAK4 (0.63) IRAK4
SCHEMBL17148581 0.76 IRAK4 (1.00) IRAK4
SCHEMBL17148576 0.76 IRAK4 (1.00) IRAK4
SCHEMBL17148577 0.76 IRAK4 (1.00) IRAK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329302-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2019-06-25 US disclosed
US-20180127432-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2018-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10329302-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 IRAK4 4619/4885
US-20180127432-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 IRAK4 4619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.